CID 3004539

Nsc658314

Structural Information

Molecular Formula
C10H8N4OS
SMILES
C1=CN=CC=C1C(=S)N/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C10H8N4OS/c11-5-8(9(12)15)6-14-10(16)7-1-3-13-4-2-7/h1-4,6H,(H2,12,15)(H,14,16)/b8-6+
InChIKey
ZARCIHYRTWXGFV-SOFGYWHQSA-N
Compound name
(E)-2-cyano-3-(pyridine-4-carbothioylamino)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.04189 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04917 159.9
[M+Na]+ 255.03111 167.1
[M-H]- 231.03461 161.2
[M+NH4]+ 250.07571 173.7
[M+K]+ 271.00505 163.7
[M+H-H2O]+ 215.03915 145.7
[M+HCOO]- 277.04009 172.9
[M+CH3COO]- 291.05574 203.0
[M+Na-2H]- 253.01656 160.0
[M]+ 232.04134 152.3
[M]- 232.04244 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.